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	hartrees
Energy at 0K	-1531.014146
Energy at 298.15K	-1531.015710
HF Energy	-1529.751252
Nuclear repulsion energy	435.185507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3034	2881	28.34
2	A'	1803	1712	103.81
3	A'	1402	1331	7.38
4	A'	1073	1019	32.32
5	A'	885	841	81.94
6	A'	648	615	54.13
7	A'	458	435	2.47
8	A'	322	306	3.13
9	A'	272	258	1.39
10	A'	202	191	2.97
11	A"	1031	979	25.57
12	A"	778	738	109.20
13	A"	331	314	2.67
14	A"	253	240	1.35
15	A"	83	79	5.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.038	0.046	0.000
C2	0.915	-1.211	0.000
O3	0.488	-2.330	0.000
Cl4	-1.659	-0.345	0.000
Cl5	0.488	0.954	1.449
Cl6	0.488	0.954	-1.449
H7	1.981	-0.956	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5329	2.4181	1.7414	1.7687	1.7687	2.1863
C2	1.5329		1.1973	2.7160	2.6404	2.6404	1.0959
O3	2.4181	1.1973		2.9244	3.5898	3.5898	2.0283
Cl4	1.7414	2.7160	2.9244		2.8984	2.8984	3.6910
Cl5	1.7687	2.6404	3.5898	2.8984		2.8980	2.8245
Cl6	1.7687	2.6404	3.5898	2.8984	2.8980		2.8245
H7	2.1863	1.0959	2.0283	3.6910	2.8245	2.8245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.216	C1	C2	H7	111.463
C2	C1	Cl4	111.942	C2	C1	Cl5	105.989
C2	C1	Cl6	105.989	O3	C2	H7	124.321
Cl4	C1	Cl5	111.322	Cl4	C1	Cl6	111.322
Cl5	C1	Cl6	110.018

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CCl3CHO (trichloroacetaldehyde)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)